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CAS 905709-79-7 (R)-C3-TUNEPHOS-RUTHENIUM COMPLEX molecular structure lightbox
CAS RN: 905709-79-7

(R)-C3-TUNEPHOS-RUTHENIUM COMPLEX

  • Product code: SSC-203123
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 905709-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

905709-79-7 / (17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride

Standard CAS: 905709-79-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
905709-79-7
Multi CAS
Yes
Molecular Formula
C49H46CL2O2P2RU
Molecular Weight
900.800000
Exact Mass
900.139350
InChI
InChI=1S/C39H32O2P2.C10H14.2ClH.Ru/c1-5-16-30(17-6-1)42(31-18-7-2-8-19-31)36-26-13-24-34-38(36)39-35(41-29-15-28-40-34)25-14-27-37(39)43(32-20-9-3-10-21-32)33-22-11-4-12-23-33;1-8(2)10-6-4-9(3)5-7-10;;;/h1-14,16-27H,15,28-29H2;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey
BOERIKXMDOKSHH-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
42
Fraction Csp3
0.14
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
230.16
TPSA
18.46

LogP / Solubility

WLOGP
4.16
MLOGP
3.74
XLogP3
4.16
Consensus LogP
4.02
Log S (ESOL)
-8.14
Class (ESOL)
Insoluble
Log S (Ali)
-9.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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